617-94-7 | 2-Phenyl-2-propanol

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$12.00	$8.00
10g	98%	in stock	$19.00	$13.00
25g	98%	in stock	$23.00	$16.00

Description

• Catalog Number: AB62918
• Chemical Name: 2-Phenyl-2-propanol
• CAS Number: 617-94-7
• Molecular Formula: C9H12O
• Molecular Weight: 136.191
• MDL Number: MFCD00004456
• SMILES: CC(c1ccccc1)(O)C

Computed Properties

• Complexity: 101
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.8

Upstream Synthesis Route

2-Phenylpropan-2-ol, also known as alpha-methylbenzyl alcohol, serves a crucial role in chemical synthesis as a versatile intermediate. This compound is widely utilized in the production of various pharmaceuticals, fragrances, and agrochemicals due to its unique chemical properties. With its aromatic structure and hydroxyl group, 2-Phenylpropan-2-ol can undergo functional group transformations, such as oxidation, esterification, and acylation, to yield a diverse range of derivatives. In organic synthesis, it is often employed as a building block for the synthesis of complex molecules and as a chiral auxiliary in asymmetric reactions. Additionally, 2-Phenylpropan-2-ol can act as a mild reducing agent in certain chemical reactions, making it a valuable tool in the hands of synthetic chemists.

Literature

• Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays.

  Toxicology in vitro : an international journal published in association with BIBRA 20161201

• Hydrogen abstraction from cyclic amines by the cumyloxyl and benzyloxyl radicals. The role of stereoelectronic effects and of substrate/radical hydrogen bonding.

  The Journal of organic chemistry 20121005

• Fragrance material review on 2-phenyl-2-propanol.

  Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901

• Kinetic solvent effects on hydrogen abstraction from phenol by the cumyloxyl radical. Toward an understanding of the role of protic solvents.

  The Journal of organic chemistry 20120203

• Understanding kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical.

  Organic letters 20111118

• Photochemical activation of ruthenium(II)-pyridylamine complexes having a pyridine-N-oxide pendant toward oxygenation of organic substrates.

  Journal of the American Chemical Society 20111109

• Hydrogen atom abstraction selectivity in the reactions of alkylamines with the benzyloxyl and cumyloxyl radicals. The importance of structure and of substrate radical hydrogen bonding.

  Journal of the American Chemical Society 20111019

• Nickel(II) complexes of tripodal 4N ligands as catalysts for alkane oxidation using m-CPBA as oxidant: ligand stereoelectronic effects on catalysis.

  Dalton transactions (Cambridge, England : 2003) 20111007

• Hydrogen atom abstraction reactions from tertiary amines by benzyloxyl and cumyloxyl radicals: influence of structure on the rate-determining formation of a hydrogen-bonded prereaction complex.

  The Journal of organic chemistry 20110805

• One-electron oxidation of ferrocenes by short-lived N-oxyl radicals. The role of structural effects on the intrinsic electron transfer reactivities.

  Organic & biomolecular chemistry 20110607

• Kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical. The importance of solvent hydrogen-bond interactions with the substrate and the abstracting radical.

  The Journal of organic chemistry 20110603

• Solvent polarity affects H atom abstractions from C-H donors.

  Organic letters 20110520

• Kinetic and chemical characterization of thermal decomposition of dicumylperoxide in cumene.

  Journal of hazardous materials 20110315

• Disposition and metabolism of cumene in F344 rats and B6C3F1 mice.

  Drug metabolism and disposition: the biological fate of chemicals 20110301

• Diffusion controlled hydrogen atom abstraction from tertiary amines by the benzyloxyl radical. The importance of C-H/N hydrogen bonding.

  Organic letters 20110121

• Electron transfer properties of alkoxyl radicals. A time-resolved kinetic study of the reactions of the tert-butoxyl, cumyloxyl, and benzyloxyl radicals with alkyl ferrocenes.

  The Journal of organic chemistry 20100903

• Kinetic solvent effects on hydrogen abstraction reactions from carbon by the cumyloxyl radical. The role of hydrogen bonding.

  Organic letters 20100820

• The role of structural effects on the reactions of alkoxyl radicals with trialkyl and triaryl phosphites. A time-resolved kinetic study.

  The Journal of organic chemistry 20100702

• Cumene hydroperoxide hydrogenation over Pd/C catalysts.

  Journal of hazardous materials 20100315

• Radical scavenging reactivity of catecholamine neurotransmitters and the inhibition effect for DNA cleavage.

  The journal of physical chemistry. B 20100114

• Electron-transfer properties of short-lived N-oxyl radicals. Kinetic study of the reactions of benzotriazole-N-oxyl radicals with ferrocenes. Comparison with the phthalimide-N-oxyl radical.

  The Journal of organic chemistry 20090807

• Chemoselective and biomimetic hydroxylation of hydrocarbons by non-heme micro-oxo-bridged diiron(III) catalysts using m-CPBA as oxidant.

  Dalton transactions (Cambridge, England : 2003) 20090714

• Phenyl bridging in ring-substituted cumyloxyl radicals. A product and time-resolved kinetic study.

  Organic letters 20090604

• Phenol-based lipophilic fluorescent antioxidant indicators: a rational approach.

  The Journal of organic chemistry 20090515

• Solvent effects on the AIBN forced degradation of cumene: Implications for forced degradation practices.

  Journal of pharmaceutical sciences 20090301

• Reactions of cumene hydroperoxide mixed with sodium hydroxide.

  Journal of hazardous materials 20080415

• A kinetic study of the electron-transfer reaction of the phthalimide-N-oxyl radical (PINO) with ferrocenes.

  The Journal of organic chemistry 20071109

• Gas-phase transfer of polymer cross-linking agents and by-products to solid oral pharmaceuticals.

  Journal of pharmaceutical and biomedical analysis 20071105

• Kinetic solvent effects on hydrogen abstraction reactions.

  Organic letters 20070719

• Steric effects in the uncatalyzed and DMAP-catalyzed acylation of alcohols-quantifying the window of opportunity in kinetic resolution experiments.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20060724

• Structural effects on the beta-scission reaction of tertiary arylcarbinyloxyl radicals. The role of alpha-cyclopropyl and alpha-cyclobutyl groups.

  The Journal of organic chemistry 20050819

• Cumene oxidation by cis-[RuIV(bpy)2(py)(O)]2+, revisited.

  Inorganic chemistry 20040223

• Separation and identification of DMPO adducts of oxygen-centered radicals formed from organic hydroperoxides by HPLC-ESR, ESI-MS and MS/MS.

  Journal of the American Society for Mass Spectrometry 20030801

• Generation and reactivity toward oxygen of carbon-centered radicals containing indane, indene, and fluorenyl moieties.

  The Journal of organic chemistry 20030418

• The yeast glutaredoxins are active as glutathione peroxidases.

  The Journal of biological chemistry 20020510

• Spectral properties and absolute rate constants for beta-scission of ring-substituted cumyloxyl radicals. A laser flash photolysis study.

  The Journal of organic chemistry 20020405

• The deprotonation of benzyl alcohol radical cations: a mechanistic dichotomy in the gas phase as in solution.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20020118

• Diversity in mechanisms of substrate oxidation by cytochrome P450 2D6. Lack of an allosteric role of NADPH-cytochrome P450 reductase in catalytic regioselectivity.

  The Journal of biological chemistry 20011026

• Switch-over in photochemical reaction mechanism from hydrogen abstraction to exciplex-induced quenching: interaction of triplet-excited versus singlet-excited acetone versus cumyloxyl radicals with amines.

  Journal of the American Chemical Society 20011010

• Role of THR501 residue in substrate binding and catalytic activity of cytochrome P4501A1.

  Archives of biochemistry and biophysics 20010501

• Structural effects on the OH-promoted fragmentation of methoxy-substituted 1-arylalkanol radical cations in aqueous solution: the role of oxygen acidity.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20010401